3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide

C21H17N3O2S — CID 58703408

IUPAC3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
SMILESCc1cnccc1C(=O)Nc1ccc(-c2cc(-c3cnco3)ccc2C)s1
InChIInChI=1S/C21H17N3O2S/c1-13-3-4-15(18-11-23-12-26-18)9-17(13)19-5-6-20(27-19)24-21(25)16-7-8-22-10-14(16)2/h3-12H,1-2H3,(H,24,25)
InChIKeyVLRQXISULBBDEN-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.33
Rot. Bonds4

About 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide

3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide (PubChem CID 58703408) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
PubChem CID58703408
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
SMILESCc1cnccc1C(=O)Nc1ccc(-c2cc(-c3cnco3)ccc2C)s1
InChIInChI=1S/C21H17N3O2S/c1-13-3-4-15(18-11-23-12-26-18)9-17(13)19-5-6-20(27-19)24-21(25)16-7-8-22-10-14(16)2/h3-12H,1-2H3,(H,24,25)
InChIKeyVLRQXISULBBDEN-UHFFFAOYSA-N
XLogP5.33
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide (CID 58703408) is 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide is Cc1cnccc1C(=O)Nc1ccc(-c2cc(-c3cnco3)ccc2C)s1.
What is the InChIKey of 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide?
The InChIKey is VLRQXISULBBDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-13-3-4-15(18-11-23-12-26-18)9-17(13)19-5-6-20(27-19)24-21(25)16-7-8-22-10-14(16)2/h3-12H,1-2H3,(H,24,25).
What are the key properties of 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide?
3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 58703408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).